[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol

C7H7ClF2N2O — CID 130102835

IUPAC[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cnc(CO)c(C(F)F)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-6-3(11)1-12-4(2-13)5(6)7(9)10/h1,7,13H,2,11H2
InChIKeyTWBAIMCFZMSEOP-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.75
Rot. Bonds2

About [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol

[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130102835) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130102835
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESNc1cnc(CO)c(C(F)F)c1Cl
InChIInChI=1S/C7H7ClF2N2O/c8-6-3(11)1-12-4(2-13)5(6)7(9)10/h1,7,13H,2,11H2
InChIKeyTWBAIMCFZMSEOP-UHFFFAOYSA-N
XLogP1.75
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(bromomethyl)-4-chloro-5-(difluoromethyl)pyridin-3-amine
CID 130102704
[5-amino-2-(aminomethyl)-3-(difluoromethyl)-4-pyridinyl]methanol
CID 130107021
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
5-(difluoromethyl)-4-fluoro-6-(hydroxymethyl)pyridin-3-ol
CID 130079587
4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 130102768
[4-amino-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118851542
[5-chloro-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130074796
[4-(aminomethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 118824248
[3-amino-5-(bromomethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130107173
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
6-(chloromethyl)-5-(difluoromethyl)-4-fluoropyridin-3-amine
CID 130104097
5-amino-4-chloro-2-(difluoromethyl)pyridin-3-ol
CID 130102480

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol (CID 130102835) is [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol is Nc1cnc(CO)c(C(F)F)c1Cl.
What is the InChIKey of [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is TWBAIMCFZMSEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-6-3(11)1-12-4(2-13)5(6)7(9)10/h1,7,13H,2,11H2.
What are the key properties of [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol?
[5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 208.59 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-chloro-3-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130102835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).