(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol

C14H14F2N2O — CID 115527804

IUPAC(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
SMILESCc1ccnc(N)c1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C14H14F2N2O/c1-8-5-6-18-14(17)11(8)12(19)9-3-2-4-10(7-9)13(15)16/h2-7,12-13,19H,1H3,(H2,17,18)
InChIKeyYKKVVUCANZYPMJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.99
Rot. Bonds3

About (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol

(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol (PubChem CID 115527804) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
PubChem CID115527804
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
SMILESCc1ccnc(N)c1C(O)c1cccc(C(F)F)c1
InChIInChI=1S/C14H14F2N2O/c1-8-5-6-18-14(17)11(8)12(19)9-3-2-4-10(7-9)13(15)16/h2-7,12-13,19H,1H3,(H2,17,18)
InChIKeyYKKVVUCANZYPMJ-UHFFFAOYSA-N
XLogP2.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-4-methyl-3-pyridinyl)-(2-aminophenyl)methanol
CID 64832179
4-[(2-amino-4-methyl-3-pyridinyl)-hydroxymethyl]benzonitrile
CID 115480865
[3-(difluoromethyl)phenyl]-(2,6-dimethoxyphenyl)methanol
CID 116809823
(2-amino-5-chloro-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol
CID 115527838
(2-amino-4-methyl-3-pyridinyl)-(2-methylfuran-3-yl)methanol
CID 104789433
[3-(difluoromethyl)phenyl]-(2,4-dimethylphenyl)methanol
CID 115527668
(2-amino-4-methyl-3-pyridinyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 81305114
[3-(difluoromethyl)phenyl]-(2-methoxy-3,4-dimethylphenyl)methanol
CID 103432669
[3-(difluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol
CID 115527836
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
1-(2-amino-4-methyl-3-pyridinyl)-2-cyclopropylethane-1,2-diol
CID 103456736
[3-(difluoromethyl)phenyl]-(2-fluoro-5-methylphenyl)methanol
CID 115527738

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol (CID 115527804) is (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol is Cc1ccnc(N)c1C(O)c1cccc(C(F)F)c1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
The InChIKey is YKKVVUCANZYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-5-6-18-14(17)11(8)12(19)9-3-2-4-10(7-9)13(15)16/h2-7,12-13,19H,1H3,(H2,17,18).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol?
(2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol has a molecular weight of 264.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-[3-(difluoromethyl)phenyl]methanol is sourced from PubChem (CID 115527804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).