(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate

C16H15NO2 — CID 126507279

IUPAC(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate
SMILESCC1(OC(=O)c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C16H15NO2/c1-16(9-10-16)19-15(18)14-13(8-5-11-17-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeySIGPZNCXTRMQKO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.46
Rot. Bonds3

About (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate

(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate (PubChem CID 126507279) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Name(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate
PubChem CID126507279
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate
SMILESCC1(OC(=O)c2ncccc2-c2ccccc2)CC1
InChIInChI=1S/C16H15NO2/c1-16(9-10-16)19-15(18)14-13(8-5-11-17-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3
InChIKeySIGPZNCXTRMQKO-UHFFFAOYSA-N
XLogP3.46
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenylpyridine-2-carboxylic acid
CID 2762789
methyl 3-(3-bromophenyl)pyridine-2-carboxylate
CID 102538275
3-pyridin-4-ylpyridine-2-carboxylic acid
CID 46316065
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
3-(4-hydroxyphenyl)pyridine-2-carboxylic acid
CID 53222577
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911
(4-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 10380701
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
(3-phenyl-2-pyridinyl)methyl acetate
CID 10633060
(3-phenyl-2-pyridinyl) carbamate
CID 155234314

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate?
The IUPAC name of (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate (CID 126507279) is (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate.
What is the SMILES notation for (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate?
The canonical SMILES for (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate is CC1(OC(=O)c2ncccc2-c2ccccc2)CC1.
What is the InChIKey of (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate?
The InChIKey is SIGPZNCXTRMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-16(9-10-16)19-15(18)14-13(8-5-11-17-14)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3.
What are the key properties of (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate?
(1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl) 3-phenylpyridine-2-carboxylate is sourced from PubChem (CID 126507279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).